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cis-3-Phenyl-cyclopenta(F)-4,5-dihydro-1,4-thiazepine-2-carboxylic acid, methyl ester

View entire compound with spectra: 2 NMR

cis-3-Phenyl-cyclopenta(F)-4,5-dihydro-1,4-thiazepine-2-carboxylic acid, methyl ester
SpectraBase Compound ID JbRgNv9qHTh
InChI InChI=1S/C16H19NO2S/c1-19-16(18)15-14(11-6-3-2-4-7-11)17-10-12-8-5-9-13(12)20-15/h2-4,6-7,12-13,17H,5,8-10H2,1H3
InChIKey ZWKUUCHKFAFHBK-UHFFFAOYSA-N
Mol Weight 289.39 g/mol
Molecular Formula C16H19NO2S
Exact Mass 289.11365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I0mQ7I2GdfG
Name cis-3-Phenyl-cyclopenta(F)-4,5-dihydro-1,4-thiazepine-2-carboxylic acid, methyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H19NO2S
InChI InChI=1S/C16H19NO2S/c1-19-16(18)15-14(11-6-3-2-4-7-11)17-10-12-8-5-9-13(12)20-15/h2-4,6-7,12-13,17H,5,8-10H2,1H3
InChIKey ZWKUUCHKFAFHBK-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference P. Sohar, K. Ujszaszy, J. Szabo, Magn. Res. Chem. 29, 928 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3